1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine

C15H27NO2 — CID 143331030

IUPAC1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine
SMILESC/C=C(OC)\C(C)=C(/C)OCCN1CCCCC1
InChIInChI=1S/C15H27NO2/c1-5-15(17-4)13(2)14(3)18-12-11-16-9-7-6-8-10-16/h5H,6-12H2,1-4H3/b14-13+,15-5+
InChIKeyCYXWDXIHVSNCSU-HZBSMDRBSA-N
MW253.39 g/mol
LogP3.33
Rot. Bonds6

About 1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine

1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine (PubChem CID 143331030) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine
PubChem CID143331030
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine
SMILESC/C=C(OC)\C(C)=C(/C)OCCN1CCCCC1
InChIInChI=1S/C15H27NO2/c1-5-15(17-4)13(2)14(3)18-12-11-16-9-7-6-8-10-16/h5H,6-12H2,1-4H3/b14-13+,15-5+
InChIKeyCYXWDXIHVSNCSU-HZBSMDRBSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(6-Fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 117975502
1-[2-(6-Fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 173164077
1-[2-(2,6-Difluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 173184277
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
1-[2-(7-Methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine
CID 90905041
1-[2-(4-Ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine
CID 123636866
1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine
CID 134485009
1-Methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 139541228
(4Z)-3-methylidene-6-(2-piperidin-1-ylethoxy)hepta-4,6-dien-2-one
CID 141825117
ethane;1-[2-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]oxyethyl]piperidine
CID 141825118
4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine
CID 142009440

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine (CID 143331030) is 1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine is C/C=C(OC)\C(C)=C(/C)OCCN1CCCCC1.
What is the InChIKey of 1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine?
The InChIKey is CYXWDXIHVSNCSU-HZBSMDRBSA-N. The full InChI is InChI=1S/C15H27NO2/c1-5-15(17-4)13(2)14(3)18-12-11-16-9-7-6-8-10-16/h5H,6-12H2,1-4H3/b14-13+,15-5+.
What are the key properties of 1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine?
1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine has a molecular weight of 253.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2E,4E)-4-methoxy-3-methylhexa-2,4-dien-2-yl]oxyethyl]piperidine is sourced from PubChem (CID 143331030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).